Compound - MetaboFood

Name	Malvidin-3-o-glucoside
Alternative name	Oenin; Malvidin 3-O-glucoside
Formula	C₂₃H₂₅O₁₂+
Formula Weight	493.40 g/mol
Molecular Weight	493.40 g/mol
Monoisotopic Mass	493.135000 g/mol
InChI Key	PXUQTDZNOHRWLI-OXUVVOBNSA-O
IUPAC	(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI	InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1
SMILES	COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Malvidin-3-o-glucoside